#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwo s ILE 2 N 0.00 1.85 0.09 0.52 1.01 -1.26 -1.16 121.20 122.25 2pwo s ILE 2 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2pwo s ILE 2 Cb 0.00 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2pwo s ILE 2 CO 0.00 0.52 -0.03 0.54 0.00 0.00 0.00 174.94 175.97 2pwo s VAL 3 N -0.19 0.45 -0.17 2.92 0.11 0.12 -4.92 120.40 118.72 2pwo s VAL 3 Ca -0.01 -1.89 -0.21 0.00 -2.93 0.00 0.00 61.98 56.94 2pwo s VAL 3 Cb -0.12 -1.71 -0.03 0.00 -1.53 0.00 0.00 36.38 32.99 2pwo s VAL 3 CO 0.02 -0.83 0.62 0.00 -3.33 0.00 0.00 175.10 171.58 2pwo s GLN 4 N -3.90 4.26 0.84 1.54 1.03 -1.26 -0.03 119.66 122.14 2pwo s GLN 4 Ca 0.13 0.63 -0.07 0.00 0.04 0.00 0.00 55.36 56.09 2pwo s GLN 4 Cb 0.07 -3.54 0.17 0.00 0.03 0.00 0.00 33.01 29.74 2pwo s GLN 4 CO -0.05 -0.14 1.15 0.54 -2.54 0.00 0.00 175.29 174.25 2pwo s ASN 5 N 1.06 3.70 0.42 12.60 2.20 0.03 -4.92 114.94 130.02 2pwo s ASN 5 Ca 0.30 -0.17 0.29 0.00 -0.94 0.00 0.00 52.86 52.34 2pwo s ASN 5 Cb -0.16 -0.00 1.36 0.00 -2.00 0.00 0.00 41.25 40.45 2pwo s ASN 5 CO 0.11 -2.32 1.88 -0.07 -2.94 0.00 0.00 177.10 173.77 2pwo h LEU 6 N -1.06 0.00 -0.39 3.54 3.38 -1.99 -0.01 115.31 118.79 2pwo h LEU 6 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2pwo h LEU 6 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2pwo h LEU 6 CO 0.37 0.00 -0.26 0.00 0.09 0.00 0.00 178.44 178.64 2pwo n GLN 7 N -2.61 0.71 -0.56 1.13 3.00 -1.26 -4.95 117.38 112.84 2pwo n GLN 7 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 57.00 56.60 2pwo n GLN 7 Cb 0.18 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.93 2pwo n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2pwo n GLY 8 N 1.35 0.71 3.90 1.08 0.00 -0.02 -5.06 105.19 107.16 2pwo n GLY 8 Ca 0.12 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 2pwo n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2pwo s GLN 9 N -0.47 3.67 -0.22 1.61 -1.52 -1.26 -4.82 119.66 116.65 2pwo s GLN 9 Ca 0.00 0.08 -0.20 0.00 -1.95 0.00 0.00 55.36 53.29 2pwo s GLN 9 Cb 0.00 -2.64 -0.03 0.00 -0.22 0.00 0.00 33.01 30.13 2pwo s GLN 9 CO 0.00 0.22 0.58 -1.64 -0.25 0.00 0.00 175.29 174.21 2pwo s MET 10 N -3.43 4.17 0.11 2.91 -1.94 -1.26 -0.79 119.30 119.08 2pwo s MET 10 Ca 0.45 0.51 0.02 0.00 -1.71 0.00 0.00 55.69 54.96 2pwo s MET 10 Cb -0.11 -3.59 -0.04 0.00 2.01 0.00 0.00 34.83 33.10 2pwo s MET 10 CO 0.28 -0.26 -0.05 0.14 -0.01 0.00 0.00 175.02 175.13 2pwo s VAL 11 N 1.98 0.65 0.36 -6.03 -7.23 0.95 -4.92 120.40 106.16 2pwo s VAL 11 Ca 0.26 -1.94 -0.24 0.00 -1.81 0.00 0.00 61.98 58.25 2pwo s VAL 11 Cb -0.16 -1.78 -0.10 0.00 0.56 0.00 0.00 36.38 34.90 2pwo s VAL 11 CO 0.10 -0.78 0.96 -2.28 -0.31 0.00 0.00 175.10 172.79 2pwo s HIS 12 N -3.66 3.52 -0.06 2.82 2.46 -1.26 0.14 115.29 119.25 2pwo s HIS 12 Ca 0.15 1.72 0.02 0.00 0.47 0.00 0.00 55.06 57.41 2pwo s HIS 12 Cb 0.06 -2.94 0.02 0.00 -0.13 0.00 0.00 32.58 29.58 2pwo s HIS 12 CO -0.03 -0.02 -0.09 -1.14 -2.47 0.00 0.00 174.74 170.99 2pwo s GLN 13 N -2.41 1.39 0.59 2.88 0.74 -0.31 -4.83 119.66 117.70 2pwo s GLN 13 Ca 0.54 -0.29 -0.20 0.00 0.05 0.00 0.00 55.36 55.46 2pwo s GLN 13 Cb -0.17 -1.23 -0.03 0.00 1.10 0.00 0.00 33.01 32.68 2pwo s GLN 13 CO 0.22 -0.04 1.34 0.00 -0.55 0.00 0.00 175.29 176.26 2pwo n ALA 14 N 3.99 1.42 -1.58 1.58 0.00 -1.26 -0.51 120.51 124.16 2pwo n ALA 14 Ca -0.23 0.08 -0.49 0.00 0.00 0.00 0.00 53.44 52.80 2pwo n ALA 14 Cb 0.51 -2.35 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 2pwo n ALA 14 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2pwo n ILE 15 N -1.38 0.90 -2.08 0.00 3.06 -1.26 -4.56 119.36 114.04 2pwo n ILE 15 Ca 0.13 -0.22 -0.37 0.00 -2.50 0.00 0.00 62.75 59.78 2pwo n ILE 15 Cb 0.46 -0.84 0.02 0.00 0.54 0.00 0.00 39.64 39.81 2pwo n ILE 15 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 2pwo s SER 16 N -0.01 5.63 0.33 9.51 0.15 -1.26 -4.86 113.70 123.18 2pwo s SER 16 Ca 0.73 2.42 0.05 0.00 0.70 0.00 0.00 55.95 59.85 2pwo s SER 16 Cb -0.85 -2.61 0.69 0.00 -1.71 0.00 0.00 66.02 61.54 2pwo s SER 16 CO 0.52 -1.30 1.88 -0.65 1.20 0.00 0.00 173.24 174.89 2pwo h PRO 17 N 1.48 0.81 -0.80 5.44 0.11 -1.99 -0.61 132.00 136.45 2pwo h PRO 17 Ca -0.50 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 2pwo h PRO 17 Cb 1.28 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 2pwo h PRO 17 CO 0.58 0.54 0.35 0.00 -0.21 0.00 0.00 178.00 179.26 2pwo h ARG 18 N 0.84 1.18 -0.32 1.05 3.08 -1.99 0.12 114.38 118.33 2pwo h ARG 18 Ca 0.44 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 60.20 2pwo h ARG 18 Cb 0.52 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2pwo h ARG 18 CO -0.20 0.93 -0.18 1.15 -1.07 0.00 0.00 179.97 180.60 2pwo h THR 19 N 1.15 1.29 -0.36 2.04 2.02 -1.72 -1.99 112.91 115.34 2pwo h THR 19 Ca 0.27 -1.30 -0.11 0.00 0.77 0.00 0.00 66.41 66.04 2pwo h THR 19 Cb 0.17 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2pwo h THR 19 CO -0.03 0.42 -0.20 -0.07 0.37 0.00 0.00 175.52 176.01 2pwo h LEU 20 N 0.45 0.81 -0.57 2.58 3.38 -0.86 -1.01 115.31 120.10 2pwo h LEU 20 Ca 0.07 -0.42 0.07 0.00 0.09 0.00 0.00 57.88 57.69 2pwo h LEU 20 Cb 0.72 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2pwo h LEU 20 CO 0.05 1.05 0.26 -1.13 0.09 0.00 0.00 178.44 178.76 2pwo h ASN 21 N 0.57 0.33 -0.67 -0.43 -1.24 -0.75 -0.38 115.58 113.01 2pwo h ASN 21 Ca 0.08 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.11 2pwo h ASN 21 Cb 0.76 -0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.78 2pwo h ASN 21 CO 0.06 0.21 0.31 0.00 -1.29 0.00 0.00 177.43 176.72 2pwo h ALA 22 N 1.35 0.86 -0.44 1.57 0.00 -1.07 -1.32 119.26 120.20 2pwo h ALA 22 Ca 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2pwo h ALA 22 Cb 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2pwo h ALA 22 CO -0.23 0.44 0.25 2.35 0.00 0.00 0.00 179.25 182.06 2pwo h TRP 23 N 0.93 0.60 -0.69 0.00 -0.00 -0.63 0.04 115.95 116.20 2pwo h TRP 23 Ca 0.23 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.89 59.04 2pwo h TRP 23 Cb 0.14 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.16 29.08 2pwo h TRP 23 CO 0.01 0.44 0.19 0.28 -0.00 0.00 0.00 178.44 179.36 2pwo h VAL 24 N 0.58 1.26 -0.77 2.65 2.07 -0.92 -1.26 116.25 119.85 2pwo h VAL 24 Ca 0.16 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 2pwo h VAL 24 Cb 0.03 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2pwo h VAL 24 CO -0.03 0.36 0.35 0.11 0.02 0.00 0.00 177.57 178.38 2pwo h LYS 25 N 1.04 1.12 -0.29 1.57 1.57 -0.87 -0.06 116.57 120.65 2pwo h LYS 25 Ca 0.22 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2pwo h LYS 25 Cb 0.34 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2pwo h LYS 25 CO -0.00 0.89 0.18 0.28 -0.57 0.00 0.00 179.45 180.22 2pwo h VAL 26 N 1.09 1.11 -0.50 0.50 2.07 -0.63 -1.28 116.25 118.61 2pwo h VAL 26 Ca 0.26 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 2pwo h VAL 26 Cb 0.16 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2pwo h VAL 26 CO -0.03 0.10 -0.15 0.58 0.02 0.00 0.00 177.57 178.10 2pwo h VAL 27 N 0.37 1.27 -0.94 2.57 2.07 -1.04 0.44 116.25 120.99 2pwo h VAL 27 Ca 0.11 -1.29 0.09 0.00 0.82 0.00 0.00 66.70 66.43 2pwo h VAL 27 Cb 0.02 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 2pwo h VAL 27 CO -0.02 0.45 0.58 -0.33 0.02 0.00 0.00 177.57 178.27 2pwo h GLU 28 N 0.85 0.95 0.09 1.57 4.39 -0.83 -0.18 114.58 121.43 2pwo h GLU 28 Ca 0.13 -0.06 -0.24 0.00 0.34 0.00 0.00 59.36 59.53 2pwo h GLU 28 Cb 0.70 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2pwo h GLU 28 CO 0.05 0.63 -1.20 1.49 -1.16 0.00 0.00 179.01 178.82 2pwo h GLU 29 N 0.98 0.19 -0.00 2.33 4.81 -0.77 -3.41 114.58 118.72 2pwo h GLU 29 Ca 0.44 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2pwo h GLU 29 Cb 0.33 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2pwo h GLU 29 CO -0.23 1.16 -0.84 1.63 -0.73 0.00 0.00 179.01 180.01 2pwo n LYS 30 N -4.07 0.63 0.00 1.92 5.02 0.15 -5.05 118.16 116.76 2pwo n LYS 30 Ca -0.23 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 2pwo n LYS 30 Cb 0.83 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 2pwo n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pwo n ALA 31 N -1.18 0.00 -1.69 7.82 0.00 -0.08 -1.36 120.51 124.02 2pwo n ALA 31 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 2pwo n ALA 31 Cb 0.33 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.87 2pwo n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2pwo n PHE 32 N 14.00 2.35 -0.83 0.00 3.72 -1.26 -4.67 117.46 130.76 2pwo n PHE 32 Ca 0.00 -2.23 -0.29 0.00 -0.05 0.00 0.00 57.45 54.88 2pwo n PHE 32 Cb 0.00 -0.65 0.20 0.00 -0.94 0.00 0.00 39.48 38.09 2pwo n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2pwo s SER 33 N -2.87 2.14 0.41 4.37 1.04 -0.47 -4.05 113.70 114.27 2pwo s SER 33 Ca 0.52 1.56 0.15 0.00 0.48 0.00 0.00 55.95 58.66 2pwo s SER 33 Cb 0.43 -2.24 1.01 0.00 0.10 0.00 0.00 66.02 65.32 2pwo s SER 33 CO 0.01 -3.49 1.89 -0.65 0.98 0.00 0.00 173.24 171.99 2pwo h PRO 34 N -2.13 0.46 0.00 4.02 0.11 -1.85 -0.78 132.00 131.83 2pwo h PRO 34 Ca -0.55 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.54 2pwo h PRO 34 Cb 1.31 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pwo h PRO 34 CO 0.51 0.30 0.00 0.93 -0.21 0.00 0.00 178.00 179.54 2pwo h GLU 35 N 0.47 0.00 -0.01 1.05 5.08 -1.91 -2.01 114.58 117.25 2pwo h GLU 35 Ca 0.41 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.68 2pwo h GLU 35 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2pwo h GLU 35 CO -0.15 0.00 -0.41 -0.24 -1.00 0.00 0.00 179.01 177.21 2pwo h VAL 36 N 0.00 1.30 0.08 3.13 3.04 -1.43 -3.31 116.25 119.06 2pwo h VAL 36 Ca 0.00 -1.43 -0.00 0.00 -1.01 0.00 0.00 66.70 64.25 2pwo h VAL 36 Cb 0.15 1.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 2pwo h VAL 36 CO 0.00 0.41 -0.04 0.40 -1.01 0.00 0.00 177.57 177.33 2pwo h ILE 37 N 0.02 1.15 -0.75 3.17 2.04 -1.54 0.80 117.51 122.40 2pwo h ILE 37 Ca -0.00 -0.84 0.11 0.00 1.00 0.00 0.00 64.86 65.13 2pwo h ILE 37 Cb 0.74 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 38.46 2pwo h ILE 37 CO 0.05 0.21 0.50 -0.65 0.00 0.00 0.00 178.15 178.26 2pwo h PRO 38 N -0.49 0.58 -0.16 2.37 0.11 -1.75 -0.24 132.00 132.42 2pwo h PRO 38 Ca -0.01 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.93 2pwo h PRO 38 Cb 0.42 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.40 2pwo h PRO 38 CO 0.02 0.38 -0.41 0.52 -0.21 0.00 0.00 178.00 178.30 2pwo h MET 39 N 0.60 0.56 -0.26 1.05 2.86 -1.56 -1.85 114.93 116.33 2pwo h MET 39 Ca 0.36 -0.39 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 2pwo h MET 39 Cb 0.57 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.25 2pwo h MET 39 CO -0.13 1.00 0.01 0.35 1.06 0.00 0.00 176.91 179.21 2pwo h PHE 40 N 0.20 0.01 -0.44 -0.22 3.57 -0.51 0.58 116.94 120.13 2pwo h PHE 40 Ca -0.01 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.59 2pwo h PHE 40 Cb 1.02 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 2pwo h PHE 40 CO 0.10 -0.02 0.05 0.77 -2.23 0.00 0.00 178.31 176.98 2pwo h SER 41 N 0.10 -0.07 -0.17 0.41 0.02 -0.96 -1.22 113.55 111.65 2pwo h SER 41 Ca 0.12 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.06 2pwo h SER 41 Cb 0.15 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 2pwo h SER 41 CO -0.19 -0.00 -0.27 0.00 -1.14 0.00 0.00 176.83 175.22 2pwo h ALA 42 N 1.36 0.27 0.00 3.77 0.00 -1.06 -3.12 119.26 120.47 2pwo h ALA 42 Ca 0.22 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2pwo h ALA 42 Cb 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2pwo h ALA 42 CO -0.31 0.26 -0.25 -0.07 0.00 0.00 0.00 179.25 178.88 2pwo h LEU 43 N 0.13 0.00 -1.32 0.00 3.38 -0.68 -2.38 115.31 114.44 2pwo h LEU 43 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2pwo h LEU 43 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2pwo h LEU 43 CO 0.06 0.25 0.00 -1.54 0.09 0.00 0.00 178.44 177.30 2pwo n SER 44 N -3.53 1.97 -4.71 -0.43 3.41 -0.48 -4.94 113.62 104.92 2pwo n SER 44 Ca -0.01 -1.78 -0.42 0.00 -0.26 0.00 0.00 58.87 56.41 2pwo n SER 44 Cb 0.40 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 2pwo n SER 44 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2pwo s GLU 45 N -1.73 4.22 0.00 4.33 0.41 -0.90 -1.39 118.70 123.64 2pwo s GLU 45 Ca 0.33 2.32 0.00 0.00 -0.41 0.00 0.00 54.97 57.21 2pwo s GLU 45 Cb 0.18 -3.35 0.00 0.00 -1.78 0.00 0.00 34.13 29.18 2pwo s GLU 45 CO 0.26 -0.65 0.00 0.41 -0.49 0.00 0.00 175.26 174.80 2pwo n GLY 46 N 3.84 0.76 3.77 -1.39 0.00 -1.26 -5.03 105.19 105.88 2pwo n GLY 46 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2pwo n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwo s ALA 47 N -3.00 3.43 0.69 4.61 0.00 -0.48 -4.29 121.76 122.73 2pwo s ALA 47 Ca 0.00 1.22 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 2pwo s ALA 47 Cb 0.00 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.67 2pwo s ALA 47 CO 0.00 -0.64 1.07 0.95 0.00 0.00 0.00 175.76 177.15 2pwo s THR 48 N -1.18 3.44 0.33 0.00 -4.23 -1.26 -4.36 115.64 108.38 2pwo s THR 48 Ca 0.50 0.39 0.09 0.00 -1.18 0.00 0.00 61.69 61.49 2pwo s THR 48 Cb -0.38 -3.45 0.32 0.00 1.34 0.00 0.00 72.50 70.33 2pwo s THR 48 CO 0.51 -0.58 1.81 -0.65 -0.54 0.00 0.00 174.62 175.17 2pwo h PRO 49 N -0.61 0.67 -0.47 3.99 0.11 -1.85 0.00 132.00 133.85 2pwo h PRO 49 Ca -0.45 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.65 2pwo h PRO 49 Cb 1.26 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2pwo h PRO 49 CO 0.63 0.44 0.26 0.37 -0.21 0.00 0.00 178.00 179.50 2pwo h GLN 50 N 0.69 0.50 -0.82 1.05 4.15 -1.91 -0.67 115.11 118.10 2pwo h GLN 50 Ca 0.54 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.91 2pwo h GLN 50 Cb 0.93 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.47 2pwo h GLN 50 CO -0.31 0.33 0.44 -0.44 -1.93 0.00 0.00 178.83 176.92 2pwo h ASP 51 N 0.52 1.04 -0.76 -0.69 3.32 -1.52 -1.82 116.42 116.52 2pwo h ASP 51 Ca 0.19 -0.11 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 2pwo h ASP 51 Cb 0.05 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2pwo h ASP 51 CO -0.11 0.86 0.28 -0.07 -1.72 0.00 0.00 179.24 178.48 2pwo h LEU 52 N 1.15 1.06 -1.29 1.55 3.38 -0.55 -1.13 115.31 119.49 2pwo h LEU 52 Ca 0.29 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2pwo h LEU 52 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2pwo h LEU 52 CO -0.04 0.96 -0.27 0.78 0.09 0.00 0.00 178.44 179.95 2pwo h ASN 53 N 1.11 0.13 -0.26 -0.43 -0.26 -0.81 0.72 115.58 115.77 2pwo h ASN 53 Ca 0.25 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.95 2pwo h ASN 53 Cb 0.24 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 2pwo h ASN 53 CO -0.02 0.41 0.14 0.74 -1.06 0.00 0.00 177.43 177.64 2pwo h THR 54 N 0.12 1.12 -0.38 2.81 2.02 -0.73 -1.65 112.91 116.22 2pwo h THR 54 Ca 0.02 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 66.91 2pwo h THR 54 Cb 0.55 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.78 2pwo h THR 54 CO 0.04 0.12 0.15 0.24 0.37 0.00 0.00 175.52 176.44 2pwo h MET 55 N 0.31 0.31 0.00 6.66 2.86 -0.47 -2.26 114.93 122.33 2pwo h MET 55 Ca 0.09 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2pwo h MET 55 Cb 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2pwo h MET 55 CO -0.01 0.20 -0.21 -0.07 1.06 0.00 0.00 176.91 177.88 2pwo h LEU 56 N 0.32 0.00 -2.40 1.22 3.38 -0.73 -2.97 115.31 114.12 2pwo h LEU 56 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2pwo h LEU 56 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2pwo h LEU 56 CO -0.16 0.21 0.00 0.59 0.09 0.00 0.00 178.44 179.16 2pwo n ASN 57 N -3.81 3.55 -0.87 -0.43 4.13 -0.64 -3.73 115.26 113.47 2pwo n ASN 57 Ca -0.02 -2.10 0.07 0.00 1.68 0.00 0.00 54.58 54.22 2pwo n ASN 57 Cb 0.31 -0.45 0.21 0.00 -1.54 0.00 0.00 39.78 38.31 2pwo n ASN 57 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2pwo n THR 58 N 1.23 1.03 -2.84 3.41 -2.24 -1.00 -4.96 114.28 108.92 2pwo n THR 58 Ca 0.21 -1.02 -0.42 0.00 -2.27 0.00 0.00 64.05 60.56 2pwo n THR 58 Cb 0.59 0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 69.27 2pwo n THR 58 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pwo s VAL 59 N -1.04 4.83 -0.18 2.28 1.01 -1.24 -4.93 120.40 121.12 2pwo s VAL 59 Ca 0.32 1.71 -0.18 0.00 0.00 0.00 0.00 61.98 63.83 2pwo s VAL 59 Cb 0.17 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 2pwo s VAL 59 CO 0.21 -0.02 0.50 -0.83 0.00 0.00 0.00 175.10 174.95 2pwo s GLY 60 N 1.19 2.14 0.00 4.51 0.00 -1.26 -4.90 107.32 109.00 2pwo s GLY 60 Ca 0.39 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.75 2pwo s GLY 60 CO 0.11 0.99 0.00 0.61 0.00 0.00 0.00 173.10 174.81 2pwo n GLY 61 N 3.76 -0.54 4.09 0.20 0.00 -1.26 -4.97 105.19 106.47 2pwo n GLY 61 Ca -0.05 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 2pwo n GLY 61 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pwo n HIS 62 N 0.00 -1.78 -0.19 1.61 -0.00 -1.26 -4.84 115.22 108.75 2pwo n HIS 62 Ca 0.00 0.79 -0.03 0.00 -0.00 0.00 0.00 57.72 58.48 2pwo n HIS 62 Cb 0.00 -3.37 0.07 0.00 -0.00 0.00 0.00 29.99 26.69 2pwo n HIS 62 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2pwo h GLN 63 N -1.70 0.57 -0.29 -0.41 7.50 -1.96 -0.39 115.11 118.43 2pwo h GLN 63 Ca -0.60 -0.03 0.03 0.00 0.50 0.00 0.00 58.65 58.55 2pwo h GLN 63 Cb 1.38 -0.13 -0.03 0.00 0.05 0.00 0.00 27.48 28.75 2pwo h GLN 63 CO 0.71 0.37 0.09 0.00 -1.50 0.00 0.00 178.83 178.50 2pwo h ALA 64 N 1.30 0.32 -0.66 3.87 0.00 -2.00 -0.70 119.26 121.40 2pwo h ALA 64 Ca 0.25 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 2pwo h ALA 64 Cb 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2pwo h ALA 64 CO -0.16 -0.32 0.27 0.00 0.00 0.00 0.00 179.25 179.04 2pwo h ALA 65 N 1.19 0.85 -0.17 0.00 0.00 -1.86 -1.73 119.26 117.55 2pwo h ALA 65 Ca 0.13 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2pwo h ALA 65 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2pwo h ALA 65 CO -0.15 0.46 -0.27 0.52 0.00 0.00 0.00 179.25 179.81 2pwo h MET 66 N 0.92 0.31 -0.53 0.00 2.07 -0.60 -0.91 114.93 116.19 2pwo h MET 66 Ca 0.22 -0.11 -0.06 0.00 -2.07 0.00 0.00 59.70 57.68 2pwo h MET 66 Cb 0.19 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 2pwo h MET 66 CO -0.02 0.56 0.09 0.37 1.07 0.00 0.00 176.91 178.98 2pwo h GLN 67 N 0.28 0.88 -0.58 1.72 5.75 -0.82 -1.52 115.11 120.82 2pwo h GLN 67 Ca 0.04 -0.24 -0.03 0.00 -0.15 0.00 0.00 58.65 58.28 2pwo h GLN 67 Cb 0.63 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.05 2pwo h GLN 67 CO 0.05 0.86 0.24 1.98 -2.65 0.00 0.00 178.83 179.30 2pwo h MET 68 N 0.76 0.84 -0.36 1.69 4.05 -0.71 -1.04 114.93 120.16 2pwo h MET 68 Ca 0.16 -0.13 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 2pwo h MET 68 Cb 0.40 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2pwo h MET 68 CO 0.01 0.69 0.02 1.25 0.23 0.00 0.00 176.91 179.11 2pwo h LEU 69 N 0.83 0.60 -0.67 3.39 5.85 -0.87 -0.71 115.31 123.74 2pwo h LEU 69 Ca 0.20 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.66 2pwo h LEU 69 Cb 0.16 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2pwo h LEU 69 CO -0.02 0.74 0.40 0.50 -0.34 0.00 0.00 178.44 179.73 2pwo h LYS 70 N 0.44 0.76 -0.70 1.25 1.63 -0.99 0.99 116.57 119.95 2pwo h LYS 70 Ca 0.10 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 2pwo h LYS 70 Cb 0.42 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 2pwo h LYS 70 CO 0.01 0.50 0.44 0.93 -3.45 0.00 0.00 179.45 177.89 2pwo h GLU 71 N 0.78 0.85 -0.31 1.90 5.08 -0.88 -0.28 114.58 121.73 2pwo h GLU 71 Ca 0.28 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 2pwo h GLU 71 Cb 0.06 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2pwo h GLU 71 CO -0.12 0.56 0.05 1.15 -1.00 0.00 0.00 179.01 179.65 2pwo h THR 72 N 0.87 1.23 -0.60 1.13 2.02 -0.48 -1.44 112.91 115.64 2pwo h THR 72 Ca 0.28 -0.81 0.02 0.00 0.77 0.00 0.00 66.41 66.67 2pwo h THR 72 Cb -0.00 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2pwo h THR 72 CO -0.10 0.26 0.38 0.40 0.37 0.00 0.00 175.52 176.83 2pwo h ILE 73 N 0.33 1.11 -0.82 3.11 2.04 -0.64 0.35 117.51 122.98 2pwo h ILE 73 Ca 0.09 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2pwo h ILE 73 Cb 0.34 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 2pwo h ILE 73 CO 0.01 0.14 0.49 0.78 0.00 0.00 0.00 178.15 179.57 2pwo h ASN 74 N 0.76 0.99 -0.25 1.72 2.35 -0.88 0.62 115.58 120.88 2pwo h ASN 74 Ca 0.23 -0.06 -0.14 0.00 -0.55 0.00 0.00 56.30 55.78 2pwo h ASN 74 Cb -0.03 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.09 2pwo h ASN 74 CO -0.08 0.76 -0.41 -0.08 -1.65 0.00 0.00 177.43 175.98 2pwo h GLU 75 N 1.13 0.72 -0.35 0.81 4.57 -0.68 -2.03 114.58 118.75 2pwo h GLU 75 Ca 0.30 -0.44 -0.08 0.00 -1.18 0.00 0.00 59.36 57.96 2pwo h GLU 75 Cb -0.04 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 2pwo h GLU 75 CO -0.05 1.06 -0.12 0.93 -1.18 0.00 0.00 179.01 179.65 2pwo h GLU 76 N 0.44 0.62 -0.44 1.92 4.39 -0.68 -0.78 114.58 120.05 2pwo h GLU 76 Ca 0.02 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 2pwo h GLU 76 Cb 1.00 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 2pwo h GLU 76 CO 0.09 0.72 0.16 0.00 -1.16 0.00 0.00 179.01 178.83 2pwo h ALA 77 N 1.31 0.58 -0.68 3.43 0.00 -0.86 0.75 119.26 123.79 2pwo h ALA 77 Ca 0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2pwo h ALA 77 Cb 0.54 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2pwo h ALA 77 CO 0.03 0.20 0.24 0.00 0.00 0.00 0.00 179.25 179.73 2pwo h ALA 78 N 1.01 0.89 -0.06 0.00 0.00 -0.97 -2.16 119.26 117.97 2pwo h ALA 78 Ca 0.15 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2pwo h ALA 78 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2pwo h ALA 78 CO -0.01 0.54 -0.71 0.93 0.00 0.00 0.00 179.25 179.99 2pwo h GLU 79 N 0.98 0.31 -0.28 0.00 4.39 -0.98 -2.08 114.58 116.93 2pwo h GLU 79 Ca 0.22 -0.25 0.05 0.00 0.34 0.00 0.00 59.36 59.72 2pwo h GLU 79 Cb 0.25 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 2pwo h GLU 79 CO -0.01 0.90 -0.04 2.35 -1.16 0.00 0.00 179.01 181.04 2pwo h TRP 80 N 0.21 -0.10 -0.73 4.33 2.91 -0.62 -0.59 115.95 121.35 2pwo h TRP 80 Ca -0.02 0.02 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 2pwo h TRP 80 Cb 1.27 0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.98 2pwo h TRP 80 CO 0.03 -0.09 0.38 -0.44 -1.03 0.00 0.00 178.44 177.30 2pwo h ASP 81 N 0.03 0.93 -0.54 2.65 3.32 -1.17 -0.24 116.42 121.39 2pwo h ASP 81 Ca 0.13 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 2pwo h ASP 81 Cb 0.19 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2pwo h ASP 81 CO -0.26 0.77 0.06 -0.09 -1.72 0.00 0.00 179.24 178.00 2pwo h ARG 82 N 1.01 0.95 -0.01 3.56 2.43 -1.03 -3.16 114.38 118.13 2pwo h ARG 82 Ca 0.26 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2pwo h ARG 82 Cb 0.06 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2pwo h ARG 82 CO -0.04 0.90 -0.24 1.28 -1.51 0.00 0.00 179.97 180.36 2pwo n LEU 83 N -4.22 1.06 -3.47 3.80 4.77 -0.26 -4.38 117.00 114.30 2pwo n LEU 83 Ca 0.04 -0.28 -0.27 0.00 -0.03 0.00 0.00 56.01 55.47 2pwo n LEU 83 Cb 0.29 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.18 2pwo n LEU 83 CO 0.42 0.20 -0.01 1.41 -1.33 0.00 0.00 177.39 178.08 2pwo n HIS 84 N -0.60 2.86 -1.72 -1.77 8.25 -0.14 -5.06 115.22 117.04 2pwo n HIS 84 Ca 0.13 -4.07 -0.42 0.00 -0.26 0.00 0.00 57.72 53.10 2pwo n HIS 84 Cb 0.35 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 30.95 2pwo n HIS 84 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2pwo n PRO 85 N 1.19 2.24 -4.20 -0.41 -0.02 -1.26 -4.87 135.00 127.67 2pwo n PRO 85 Ca 0.27 0.79 -0.12 0.00 -2.02 0.00 0.00 63.50 62.42 2pwo n PRO 85 Cb 0.42 -2.46 -0.10 0.00 -0.02 0.00 0.00 33.50 31.34 2pwo n PRO 85 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2pwo s VAL 86 N -1.13 0.89 0.92 -1.45 -7.23 -1.26 -5.16 120.40 105.97 2pwo s VAL 86 Ca 0.57 -1.98 -0.12 0.00 -1.81 0.00 0.00 61.98 58.64 2pwo s VAL 86 Cb -0.52 -1.74 0.14 0.00 0.56 0.00 0.00 36.38 34.82 2pwo s VAL 86 CO 0.61 -0.82 1.11 -1.00 -0.31 0.00 0.00 175.10 174.70 2pwo s HIS 87 N -3.48 2.43 -1.17 2.82 3.76 -1.26 -4.95 115.29 113.44 2pwo s HIS 87 Ca 0.14 0.97 -0.19 0.00 -0.15 0.00 0.00 55.06 55.83 2pwo s HIS 87 Cb 0.04 -3.29 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 2pwo s HIS 87 CO -0.03 -2.42 1.96 0.00 -0.85 0.00 0.00 174.74 173.40 2pwo n ALA 88 N -3.84 3.57 0.00 -1.40 0.00 -1.26 -4.81 120.51 112.78 2pwo n ALA 88 Ca 0.06 -3.52 0.00 0.00 0.00 0.00 0.00 53.44 49.98 2pwo n ALA 88 Cb 0.58 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.46 2pwo n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwo n GLY 89 N 4.93 -0.06 3.76 0.00 0.00 -1.26 -4.95 105.19 107.61 2pwo n GLY 89 Ca 0.49 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 2pwo n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pwo s PRO 90 N -2.72 3.62 0.08 1.61 0.04 -1.26 -4.92 135.00 131.45 2pwo s PRO 90 Ca 0.00 2.17 -0.19 0.00 0.04 0.00 0.00 61.00 63.02 2pwo s PRO 90 Cb 0.00 -2.52 -0.09 0.00 0.04 0.00 0.00 34.50 31.93 2pwo s PRO 90 CO 0.00 -0.79 1.53 0.82 0.04 0.00 0.00 177.00 178.61 2pwo h ILE 91 N 2.02 1.24 -3.31 0.56 1.08 -1.96 -3.41 117.51 113.73 2pwo h ILE 91 Ca -0.50 -0.83 -0.57 0.00 -0.39 0.00 0.00 64.86 62.57 2pwo h ILE 91 Cb 1.27 1.33 -0.06 0.00 -3.07 0.00 0.00 36.82 36.29 2pwo h ILE 91 CO 0.60 0.26 0.38 -1.61 -0.69 0.00 0.00 178.15 177.10 2pwo s GLU 92 N -5.07 4.34 0.24 2.37 0.41 -1.26 -5.00 118.70 114.73 2pwo s GLU 92 Ca -0.14 1.08 -0.05 0.00 -0.41 0.00 0.00 54.97 55.45 2pwo s GLU 92 Cb 0.07 -3.55 0.42 0.00 -1.78 0.00 0.00 34.13 29.29 2pwo s GLU 92 CO 0.74 -0.27 1.75 -1.00 -0.49 0.00 0.00 175.26 175.98 2pwo h PRO 93 N 7.21 0.49 0.00 0.39 0.13 -2.01 -1.95 132.00 136.25 2pwo h PRO 93 Ca -0.31 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2pwo h PRO 93 Cb 1.14 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2pwo h PRO 93 CO 0.83 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 179.33 2pwo n GLY 94 N -1.32 -0.99 3.77 1.56 0.00 -1.26 -4.95 105.19 102.00 2pwo n GLY 94 Ca 0.13 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2pwo n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pwo s GLN 95 N -2.57 4.36 0.16 1.61 0.74 -0.73 -4.93 119.66 118.30 2pwo s GLN 95 Ca 0.20 1.96 -0.31 0.00 0.05 0.00 0.00 55.36 57.26 2pwo s GLN 95 Cb 0.14 -2.99 -0.11 0.00 1.10 0.00 0.00 33.01 31.16 2pwo s GLN 95 CO 0.33 -0.09 1.72 1.41 -0.55 0.00 0.00 175.29 178.11 2pwo s MET 96 N -1.83 4.15 0.66 1.67 -2.45 -1.26 -4.78 119.30 115.47 2pwo s MET 96 Ca 0.50 2.53 -0.14 0.00 -1.25 0.00 0.00 55.69 57.33 2pwo s MET 96 Cb -0.34 -3.32 -0.00 0.00 1.25 0.00 0.00 34.83 32.42 2pwo s MET 96 CO 0.44 -0.75 1.08 -0.98 1.05 0.00 0.00 175.02 175.86 2pwo s ARG 97 N 1.85 2.91 0.17 4.11 1.70 -1.26 -4.91 118.95 123.52 2pwo s ARG 97 Ca 0.76 1.21 -0.29 0.00 -0.47 0.00 0.00 55.73 56.94 2pwo s ARG 97 Cb -0.46 -1.98 -0.07 0.00 -0.57 0.00 0.00 34.95 31.87 2pwo s ARG 97 CO 0.33 -1.14 0.92 -1.21 -1.08 0.00 0.00 175.30 173.13 2pwo s GLU 98 N -4.39 4.75 0.30 3.89 0.41 -1.26 -5.01 118.70 117.39 2pwo s GLU 98 Ca 0.63 1.42 -0.29 0.00 -0.41 0.00 0.00 54.97 56.32 2pwo s GLU 98 Cb -0.17 -3.32 -0.10 0.00 -1.78 0.00 0.00 34.13 28.76 2pwo s GLU 98 CO 0.45 0.40 1.14 -1.25 -0.49 0.00 0.00 175.26 175.50 2pwo s PRO 99 N -0.67 4.56 0.60 0.39 0.04 -1.26 -5.05 135.00 133.61 2pwo s PRO 99 Ca 0.43 1.88 0.06 0.00 0.04 0.00 0.00 61.00 63.41 2pwo s PRO 99 Cb -0.24 -3.14 0.09 0.00 0.04 0.00 0.00 34.50 31.25 2pwo s PRO 99 CO 0.30 0.11 0.83 1.03 0.04 0.00 0.00 177.00 179.31 2pwo s ARG 100 N -1.56 2.18 0.26 4.56 1.81 -1.26 -4.91 118.95 120.03 2pwo s ARG 100 Ca 0.46 -1.42 -0.02 0.00 -1.72 0.00 0.00 55.73 53.03 2pwo s ARG 100 Cb -0.33 -2.56 0.43 0.00 -0.45 0.00 0.00 34.95 32.04 2pwo s ARG 100 CO 0.43 -0.97 1.85 0.78 -0.68 0.00 0.00 175.30 176.71 2pwo h GLY 101 N 0.01 1.48 2.00 -3.53 0.00 -1.93 -0.52 103.07 100.58 2pwo h GLY 101 Ca -0.33 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.54 2pwo h GLY 101 CO 0.41 0.24 -0.20 1.48 0.00 0.00 0.00 176.54 178.48 2pwo h SER 102 N 1.03 0.00 -0.06 0.19 4.64 -1.95 -1.09 113.55 116.31 2pwo h SER 102 Ca 0.43 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.52 2pwo h SER 102 Cb 0.28 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2pwo h SER 102 CO -0.21 0.20 -0.86 0.44 -0.87 0.00 0.00 176.83 175.53 2pwo h ASP 103 N 0.00 0.85 -0.73 4.97 3.32 -1.47 0.06 116.42 123.44 2pwo h ASP 103 Ca -0.00 -0.70 -0.05 0.00 0.02 0.00 0.00 57.03 56.30 2pwo h ASP 103 Cb 0.62 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2pwo h ASP 103 CO 0.03 1.43 0.25 0.40 -1.72 0.00 0.00 179.24 179.63 2pwo h ILE 104 N 0.36 1.26 0.00 0.35 2.04 -0.82 -2.40 117.51 118.30 2pwo h ILE 104 Ca -0.09 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.91 2pwo h ILE 104 Cb 1.51 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2pwo h ILE 104 CO 0.17 0.34 0.00 0.00 0.00 0.00 0.00 178.15 178.66 2pwo n ALA 105 N -2.45 2.45 -0.89 1.87 0.00 -0.45 -4.64 120.51 116.41 2pwo n ALA 105 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2pwo n ALA 105 Cb 0.21 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2pwo n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pwo n GLY 106 N 0.98 0.51 0.09 0.00 0.00 -0.90 -4.92 105.19 100.96 2pwo n GLY 106 Ca 0.16 -0.40 -0.03 0.00 0.00 0.00 0.00 46.02 45.76 2pwo n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pwo n THR 107 N -2.89 1.31 -0.05 2.61 -2.24 -0.03 -4.33 114.28 108.66 2pwo n THR 107 Ca 0.00 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2pwo n THR 107 Cb 0.00 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 2pwo n THR 107 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2pwo n THR 108 N -2.92 0.79 -4.63 4.28 -2.24 -0.99 -5.02 114.28 103.57 2pwo n THR 108 Ca -0.13 -0.87 -0.31 0.00 -2.27 0.00 0.00 64.05 60.47 2pwo n THR 108 Cb 0.92 0.61 -0.12 0.00 -2.10 0.00 0.00 70.33 69.64 2pwo n THR 108 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pwo s SER 109 N -0.79 4.05 0.68 3.42 1.04 -1.26 -4.85 113.70 115.98 2pwo s SER 109 Ca 0.00 -0.33 -0.11 0.00 0.48 0.00 0.00 55.95 55.99 2pwo s SER 109 Cb 0.00 -0.76 -0.00 0.00 0.10 0.00 0.00 66.02 65.36 2pwo s SER 109 CO 0.00 0.27 1.06 0.42 0.98 0.00 0.00 173.24 175.97 2pwo s THR 110 N -0.93 4.12 0.23 2.02 -4.23 -1.26 -4.90 115.64 110.69 2pwo s THR 110 Ca 0.15 0.69 -0.06 0.00 -1.18 0.00 0.00 61.69 61.28 2pwo s THR 110 Cb -0.11 -3.53 0.19 0.00 1.34 0.00 0.00 72.50 70.39 2pwo s THR 110 CO 0.06 -0.90 1.81 0.25 -0.54 0.00 0.00 174.62 175.30 2pwo h LEU 111 N -0.62 0.63 -1.38 4.79 5.85 -1.99 -1.09 115.31 121.50 2pwo h LEU 111 Ca -0.44 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 2pwo h LEU 111 Cb 1.21 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2pwo h LEU 111 CO 0.59 0.39 -0.27 1.56 -0.34 0.00 0.00 178.44 180.37 2pwo h GLN 112 N 0.76 0.00 -0.40 1.25 1.08 -1.99 -1.18 115.11 114.64 2pwo h GLN 112 Ca 0.35 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.43 2pwo h GLN 112 Cb 0.27 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2pwo h GLN 112 CO -0.21 0.27 -0.25 0.93 -0.95 0.00 0.00 178.83 178.61 2pwo h GLU 113 N 0.00 0.87 -0.13 1.46 5.08 -1.76 0.18 114.58 120.28 2pwo h GLU 113 Ca -0.00 -0.41 0.02 0.00 -1.00 0.00 0.00 59.36 57.98 2pwo h GLU 113 Cb 0.62 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2pwo h GLU 113 CO 0.03 1.05 -0.02 1.96 -1.00 0.00 0.00 179.01 181.04 2pwo h GLN 114 N 0.69 0.02 -0.67 2.33 4.20 -0.58 -0.40 115.11 120.69 2pwo h GLN 114 Ca 0.08 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2pwo h GLN 114 Cb 0.82 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 2pwo h GLN 114 CO 0.07 0.01 0.43 0.82 -0.67 0.00 0.00 178.83 179.50 2pwo h ILE 115 N 0.02 1.18 -0.47 2.54 1.08 -1.22 -0.93 117.51 119.71 2pwo h ILE 115 Ca 0.06 -0.36 0.07 0.00 -0.39 0.00 0.00 64.86 64.25 2pwo h ILE 115 Cb 0.09 0.21 -0.06 0.00 -3.07 0.00 0.00 36.82 33.99 2pwo h ILE 115 CO -0.12 0.18 0.11 1.23 -0.69 0.00 0.00 178.15 178.86 2pwo h GLY 116 N 0.92 0.58 0.65 5.37 0.00 -0.39 -0.51 103.07 109.69 2pwo h GLY 116 Ca 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 2pwo h GLY 116 CO -0.05 -0.04 -0.01 1.49 0.00 0.00 0.00 176.54 177.93 2pwo h TRP 117 N 0.26 0.10 0.00 5.60 6.55 -0.79 -2.34 115.95 125.32 2pwo h TRP 117 Ca 0.23 -0.02 -0.01 0.00 0.95 0.00 0.00 58.89 60.03 2pwo h TRP 117 Cb 0.28 -0.02 -0.00 0.00 -0.86 0.00 0.00 29.16 28.55 2pwo h TRP 117 CO -0.20 0.45 -0.06 0.52 -1.05 0.00 0.00 178.44 178.09 2pwo h MET 118 N -0.28 0.00 -0.32 0.49 2.86 -0.70 -0.90 114.93 116.08 2pwo h MET 118 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2pwo h MET 118 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2pwo h MET 118 CO 0.01 0.06 0.00 0.25 1.06 0.00 0.00 176.91 178.29 2pwo n THR 119 N -3.82 0.71 -1.07 2.22 -2.24 -0.24 -4.59 114.28 105.24 2pwo n THR 119 Ca -0.02 -0.85 -0.33 0.00 -2.27 0.00 0.00 64.05 60.57 2pwo n THR 119 Cb 0.16 0.73 0.13 0.00 -2.10 0.00 0.00 70.33 69.25 2pwo n THR 119 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2pwo n HIS 120 N 0.80 0.98 -3.85 4.78 -0.00 -0.88 -4.89 115.22 112.14 2pwo n HIS 120 Ca 0.13 0.39 -0.35 0.00 -0.00 0.00 0.00 57.72 57.89 2pwo n HIS 120 Cb 0.44 -2.07 -0.13 0.00 -0.00 0.00 0.00 29.99 28.23 2pwo n HIS 120 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2pwo s ASN 121 N -2.10 5.06 0.59 0.26 2.47 -1.26 -1.23 114.94 118.72 2pwo s ASN 121 Ca 0.72 -1.58 -0.12 0.00 0.42 0.00 0.00 52.86 52.29 2pwo s ASN 121 Cb -0.29 -1.76 -0.05 0.00 -1.45 0.00 0.00 41.25 37.70 2pwo s ASN 121 CO 0.53 -0.38 1.02 -2.16 -3.72 0.00 0.00 177.10 172.39 2pwo s PRO 122 N 1.21 3.69 0.51 0.43 0.05 -1.26 -5.11 135.00 134.52 2pwo s PRO 122 Ca 0.01 0.80 -0.22 0.00 0.05 0.00 0.00 61.00 61.64 2pwo s PRO 122 Cb -0.21 -2.10 -0.07 0.00 0.05 0.00 0.00 34.50 32.18 2pwo s PRO 122 CO -0.02 -0.49 1.17 -2.30 0.05 0.00 0.00 177.00 175.41 2pwo n PRO 123 N -2.44 1.46 -3.81 0.56 -0.02 -0.37 -4.98 135.00 125.41 2pwo n PRO 123 Ca 0.06 0.54 -0.34 0.00 -2.02 0.00 0.00 63.50 61.73 2pwo n PRO 123 Cb 0.54 -2.33 -0.11 0.00 -0.02 0.00 0.00 33.50 31.58 2pwo n PRO 123 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pwo s ILE 124 N -1.33 3.26 -1.36 4.25 1.01 -0.39 -4.97 121.20 121.67 2pwo s ILE 124 Ca 0.69 -2.90 -0.12 0.00 0.00 0.00 0.00 60.65 58.32 2pwo s ILE 124 Cb -0.46 -3.19 0.10 0.00 0.01 0.00 0.00 42.46 38.93 2pwo s ILE 124 CO 0.52 -0.81 2.02 -0.81 0.00 0.00 0.00 174.94 175.85 2pwo n PRO 125 N 3.58 3.24 0.21 2.79 -0.04 -1.26 -3.25 135.00 140.27 2pwo n PRO 125 Ca 0.05 -3.10 0.06 0.00 -0.04 0.00 0.00 63.50 60.48 2pwo n PRO 125 Cb 0.37 -3.12 0.54 0.00 -0.04 0.00 0.00 33.50 31.25 2pwo n PRO 125 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 2pwo h VAL 126 N 3.98 1.08 -0.30 0.52 -1.51 -1.89 -0.04 116.25 118.08 2pwo h VAL 126 Ca 0.48 -0.33 -0.03 0.00 -1.23 0.00 0.00 66.70 65.59 2pwo h VAL 126 Cb 0.65 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.90 2pwo h VAL 126 CO 1.73 0.10 0.07 1.23 -1.23 0.00 0.00 177.57 179.47 2pwo h GLY 127 N 0.33 0.51 1.23 5.19 0.00 -1.86 -0.89 103.07 107.58 2pwo h GLY 127 Ca 0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 2pwo h GLY 127 CO 0.01 0.30 0.07 0.83 0.00 0.00 0.00 176.54 177.74 2pwo h GLU 128 N 0.31 0.95 -0.17 4.80 4.39 -1.47 0.57 114.58 123.96 2pwo h GLU 128 Ca 0.09 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 2pwo h GLU 128 Cb 0.29 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2pwo h GLU 128 CO 0.00 0.89 0.03 0.82 -1.16 0.00 0.00 179.01 179.60 2pwo h ILE 129 N 0.89 1.21 -0.69 3.13 2.04 -0.96 -1.19 117.51 121.95 2pwo h ILE 129 Ca 0.18 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 2pwo h ILE 129 Cb 0.43 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.82 2pwo h ILE 129 CO 0.01 0.21 0.30 0.22 0.00 0.00 0.00 178.15 178.90 2pwo h TYR 130 N 0.07 1.02 -0.94 1.37 3.20 -1.02 -1.66 116.97 119.02 2pwo h TYR 130 Ca 0.05 -0.06 0.11 0.00 3.14 0.00 0.00 58.73 61.96 2pwo h TYR 130 Cb 0.29 -0.31 -0.08 0.00 1.54 0.00 0.00 36.73 38.17 2pwo h TYR 130 CO 0.01 0.77 0.57 0.87 -1.64 0.00 0.00 178.16 178.75 2pwo h LYS 131 N 0.97 0.91 -0.53 1.82 1.57 -0.72 -0.86 116.57 119.71 2pwo h LYS 131 Ca 0.23 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2pwo h LYS 131 Cb 0.16 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2pwo h LYS 131 CO -0.02 0.60 0.30 -0.09 -0.57 0.00 0.00 179.45 179.66 2pwo h ARG 132 N 0.94 0.74 -0.71 3.15 2.43 -0.30 0.62 114.38 121.25 2pwo h ARG 132 Ca 0.45 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.54 2pwo h ARG 132 Cb 0.41 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 2pwo h ARG 132 CO -0.25 0.57 0.43 -1.49 -1.51 0.00 0.00 179.97 177.72 2pwo h TRP 133 N 0.72 0.94 -0.62 2.20 6.55 -0.77 0.02 115.95 124.99 2pwo h TRP 133 Ca 0.19 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.03 2pwo h TRP 133 Cb 0.04 -0.31 -0.03 0.00 -0.86 0.00 0.00 29.16 28.00 2pwo h TRP 133 CO -0.02 0.64 0.40 0.82 -1.05 0.00 0.00 178.44 179.23 2pwo h ILE 134 N 0.97 1.17 -0.18 1.49 2.04 -0.76 -1.58 117.51 120.66 2pwo h ILE 134 Ca 0.26 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.63 2pwo h ILE 134 Cb -0.03 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 2pwo h ILE 134 CO -0.05 0.17 -0.52 0.40 0.00 0.00 0.00 178.15 178.15 2pwo h ILE 135 N 0.84 1.32 -0.42 -0.67 2.04 -0.51 0.15 117.51 120.26 2pwo h ILE 135 Ca 0.23 -1.75 0.08 0.00 1.00 0.00 0.00 64.86 64.41 2pwo h ILE 135 Cb -0.07 1.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 2pwo h ILE 135 CO -0.05 0.54 -0.03 0.25 0.00 0.00 0.00 178.15 178.87 2pwo h LEU 136 N 0.40 -0.24 -0.72 1.44 5.85 -0.77 0.60 115.31 121.88 2pwo h LEU 136 Ca 0.01 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2pwo h LEU 136 Cb 1.04 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 2pwo h LEU 136 CO 0.10 -0.08 0.43 1.23 -0.34 0.00 0.00 178.44 179.78 2pwo h GLY 137 N 0.07 1.05 1.49 3.75 0.00 -0.27 -1.64 103.07 107.52 2pwo h GLY 137 Ca 0.21 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2pwo h GLY 137 CO -0.37 0.24 0.09 1.41 0.00 0.00 0.00 176.54 177.91 2pwo h LEU 138 N 0.82 0.59 -1.01 3.11 3.38 -0.08 -1.36 115.31 120.77 2pwo h LEU 138 Ca 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2pwo h LEU 138 Cb 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2pwo h LEU 138 CO -0.14 0.60 0.00 0.78 0.09 0.00 0.00 178.44 179.77 2pwo h ASN 139 N 0.63 0.00 0.04 -0.43 4.21 0.07 -0.31 115.58 119.79 2pwo h ASN 139 Ca 0.14 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.45 2pwo h ASN 139 Cb 0.25 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 2pwo h ASN 139 CO -0.00 0.00 -1.05 0.11 -1.29 0.00 0.00 177.43 175.19 2pwo h LYS 140 N 0.00 0.08 -0.55 0.81 1.57 -1.02 -3.40 116.57 114.06 2pwo h LYS 140 Ca 0.00 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2pwo h LYS 140 Cb 0.38 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 2pwo h LYS 140 CO 0.00 1.06 0.36 0.82 -0.57 0.00 0.00 179.45 181.13 2pwo h ILE 141 N -0.77 1.08 -0.27 1.86 2.04 -1.00 -2.32 117.51 118.13 2pwo h ILE 141 Ca -0.26 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.45 2pwo h ILE 141 Cb 1.39 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2pwo h ILE 141 CO -0.08 0.12 0.32 1.62 0.00 0.00 0.00 178.15 180.13 2pwo h VAL 142 N 0.65 0.37 0.00 1.67 3.04 -1.20 0.20 116.25 120.98 2pwo h VAL 142 Ca 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 2pwo h VAL 142 Cb 0.06 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.08 2pwo h VAL 142 CO -0.06 0.00 0.00 0.54 -1.01 0.00 0.00 177.57 177.04 2pwo n ARG 143 N -3.67 0.14 0.00 4.17 1.74 -0.87 -1.15 116.66 117.02 2pwo n ARG 143 Ca 0.04 0.35 0.13 0.00 -0.77 0.00 0.00 57.85 57.59 2pwo n ARG 143 Cb 0.46 -1.75 0.36 0.00 -1.02 0.00 0.00 32.46 30.52 2pwo n ARG 143 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2pwo n MET 144 N -2.00 0.78 0.00 5.56 2.81 0.69 -5.20 117.12 119.76 2pwo n MET 144 Ca 0.03 -0.46 0.00 0.00 -1.81 0.00 0.00 57.70 55.46 2pwo n MET 144 Cb 0.23 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2pwo n MET 144 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14